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NCID-ZINC01874687

 MMsINC code: MMs02377347
Type: Neutral
Formula: C24H16N2
SMILES:   n1(-n2c3c(c4c2cccc4)cccc3)c2c(c3c1cccc3)cccc2
InChI:   InChI=1/C24H16N2/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26/h1-16H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.2952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.406 g/mol  logS: -7.35232  SlogP: 6.2138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.420947  Sterimol/B1: 2.5168  Sterimol/B2: 2.53037  Sterimol/B3: 6.80209
  Sterimol/B4: 6.83275  Sterimol/L: 12.7387 
 
 Surface and Volume Properties
  Accessible surface: 568.447  Positive charged surface: 286.707  Negative charged surface: 262.824  Volume: 331.5
  Hydrophobic surface: 568.447  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.